| CAS Number | 901300-51-4 |
| Catalog Number | AG00H4IL(AGN-PC-0WD06E) |
| Chemical Name | 6-Bromo-5-methylnicotinic acid |
| IUPAC Name | 6-bromo-5-methylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H6BrNO2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3H,1H3,(H,10,11) |
| InChI Key | CUYJCEDJAWSYJG-UHFFFAOYSA-N |
| MDL Number | MFCD11044925 |
| Molecular Formula | C7H6BrNO2 |
| Molecular Weight | 216.0320 |
| SMILES | O=C(O)C1=CN=C(Br)C(C)=C1 |
| Synonyms | 6-BROMO-5-METHYLNICOTINIC ACID,
901300-51-4,
2-BROMO-3-METHYLPYRIDINE-5-CARBOXYLIC ACID,
SCHEMBL4897370,
6-bromo-5-methyl-nicotinic acid,
CUYJCEDJAWSYJG-UHFFFAOYSA-N,
ZINC72221909,
AKOS015966744,
AB62965,
DA-36413,
FT-0705780,
ST24045207,
Z1053,
Q-7441,
6-BROMO-5-METHYLPYRIDINE-3-CARBOXYLIC ACID,
C7H6BrNO2,
AJ-120723,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.95819g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.03g/mol |
| Monoisotopic Mass | 214.95819g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number